CID 16073355

Schembl2843657

Structural Information

Molecular Formula
C19H16FNO4
SMILES
CC(=O)C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)OC
InChI
InChI=1S/C19H16FNO4/c1-10(22)13-8-16-14(9-15(13)24-3)17(19(23)21-2)18(25-16)11-4-6-12(20)7-5-11/h4-9H,1-3H3,(H,21,23)
InChIKey
ATLGFZSEWKWGSW-UHFFFAOYSA-N
Compound name
6-acetyl-2-(4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

341.10632 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.11360 178.0
[M+Na]+ 364.09554 188.1
[M-H]- 340.09904 186.5
[M+NH4]+ 359.14014 193.1
[M+K]+ 380.06948 185.3
[M+H-H2O]+ 324.10358 169.9
[M+HCOO]- 386.10452 200.7
[M+CH3COO]- 400.12017 215.8
[M+Na-2H]- 362.08099 179.5
[M]+ 341.10577 183.7
[M]- 341.10687 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe